Sugi Predict

Sugi Predict / Compounds / SCHEMBL952913

SCHEMBL952913

SCHEMBL952913

C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)O[C@H](C)[C@H](N(C(=O)O)C(C)(C)C)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPIA P62937 6/20 0.66
▸ ABCB1 P08183 14/20 0.61
▸ FKBP1B P68106 2/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ NPC1 O15118 1/20 0.61
▸ ABCC3 O15438 1/20 0.61
▸ GMNN O75496 1/20 0.61
▸ USP2 O75604 1/20 0.61
▸ SLCO2B1 O94956 1/20 0.61
▸ ABCB11 O95342 1/20 0.61
▸ LMNA P02545 1/20 0.61
▸ POLB P06746 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ RARB P10826 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ CYP3A5 P20815 1/20 0.61
▸ TACR2 P21452 1/20 0.61
▸ PPIB P23284 1/20 0.61
▸ CYP3A7 P24462 1/20 0.61

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL952915 1.00 PPIA (0.66) PPIAABCB1FKBP1BMEN1NPC1
SCHEMBL3753016 0.87 PPIA (0.70) PPIAABCB1FKBP1BMEN1NPC1
SCHEMBL3753020 0.87 PPIA (0.70) PPIAABCB1FKBP1BMEN1NPC1
SCHEMBL953685 0.82 ABCB1 (0.82) PPIAABCB1FKBP1BMEN1NPC1
SCHEMBL13379663 0.82 ABCB1 (0.82) PPIAABCB1FKBP1BMEN1NPC1
SCHEMBL953684 0.82 ABCB1 (0.82) PPIAABCB1FKBP1BMEN1NPC1
SCHEMBL13379677 0.81 PPIA (0.81) PPIAABCB1FKBP1BMEN1NPC1
SCHEMBL13379674 0.80 ABCB1 (0.76) PPIAABCB1FKBP1BMEN1NPC1
SCHEMBL13379673 0.80 ABCB1 (0.76) PPIAABCB1FKBP1BMEN1NPC1
SCHEMBL23382301 0.80 PPIA (1.00) PPIAABCB1FKBP1BMEN1NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872097-B2 Cyclic peptide compounds ASTELLAS PHARMA INC. (JP) 2011-01-18 — — US disclosed